N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine

C14H17N3O3 — CID 65181699

IUPACN-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccc(C)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H17N3O3/c1-4-15-10(3)14-16-8-13(20-14)11-6-5-9(2)12(7-11)17(18)19/h5-8,10,15H,4H2,1-3H3
InChIKeyGVDNDSTWQFZRNO-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine

N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65181699) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65181699
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccc(C)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H17N3O3/c1-4-15-10(3)14-16-8-13(20-14)11-6-5-9(2)12(7-11)17(18)19/h5-8,10,15H,4H2,1-3H3
InChIKeyGVDNDSTWQFZRNO-UHFFFAOYSA-N
XLogP3.23
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[5-(3-methyl-4-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181397
N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181398
N-ethyl-1-[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181338
N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181239
1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 82819022
N-ethyl-1-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181244
N-ethyl-1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181501
N-ethyl-1-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181800
N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181959
N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181747
N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183078
N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183384

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine (CID 65181699) is N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine is CCNC(C)c1ncc(-c2ccc(C)c([N+](=O)[O-])c2)o1.
What is the InChIKey of N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is GVDNDSTWQFZRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-15-10(3)14-16-8-13(20-14)11-6-5-9(2)12(7-11)17(18)19/h5-8,10,15H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 275.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65181699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).